5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine - CAS 1036027-54-9

Name: 5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001182
Product Name:	5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine
CAS:	1036027-54-9
Synonyms:	5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
Description:	5-Trifluoromethyl-1H-pyrrolo[2,3-b]pyridine (CAS# 1036027-54-9) is a useful research chemical.
Molecular Weight:	186.13
Molecular Formula:	C8H5F3N2
Canonical SMILES:	C1=CNC2=NC=C(C=C21)C(F)(F)F
InChI:	InChI=1S/C8H5F3N2/c9-8(10,11)6-3-5-1-2-12-7(5)13-4-6/h1-4H,(H,12,13)
InChI Key:	KHAGHXUTEFDDOD-UHFFFAOYSA-N
Boiling Point:	270.7 °C at 760 mmHg
Purity:	95 %
Density:	1.447 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	2.58170

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Related Functional Groups

Azaindoles

[1190318-85-4]C8H7IN2O
3-Iodo-7-methoxy-4-azaindole
[850892-97-6]C12H13BrN2O2
tert-butyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate
[10299-69-1]C9H10N2
2,3-Dimethyl-7-azaindole
[183208-35-7]C7H5BrN2
5-Bromo-7-azaindole
[346599-62-0]C7H5ClN2O
4-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
[1260671-83-7]C7H5ClN2O
4-chloro-1H,2H,3H-pyrrolo[2,3-c]pyridin-2-one

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[452-76-6]C7H6F2
2,4-Difluorotoluene
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate

Publication Number	Title	Priority Date
US-10961238-B2	Modulators of hedgehog (Hh) signaling pathway	20161026
WO-2017133667-A1	Pyrimidine and pyridine derivatives and use in treatment, amelioration or prevention of influenza thereof	20160205
US-2017050980-A1	Oxadiazine compounds and methods of use thereof	20150818
WO-2017031325-A1	Oxadiazine compounds and methods of use thereof	20150818
US-2017029406-A1	Therapeutic inhibitory compounds	20150701

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.04048265
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.04048265
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2